title: γ-Brass polyhedral core in intermetallics: the nanocluster model.
abstract: Using the TOPOS program package, 26-atom nanoclusters of the γ-brass (Cu5Zn8) type (0@4@22 or 0@8@18) were found in 5918 crystal structures of cubic intermetallics. The nanocluster models were built for all the intermetallics using a recently developed algorithm implemented into TOPOS. The relations of the structures based on the 0@4@22 core are explored as a result of migration of atoms between different shells of the nanoclusters. It is shown that the 0@4@22 nanoclusters frequently occur as building units of intermetallics of different composition and structure type. Regularities in chemical composition of 702 γ-brass-type nanoclusters were found within both the nanoclusters approach (multishell structure) and the nested-polyhedra model. A database containing all topological types of γ-brass nanoclusters is created with which one can search for the corresponding atomic configuration in any intermetallics.
authors.affiliation: Samara Center for Theoretical Materials Science (SCTMS), Samara State University , Ac. Pavlov Street 1, Samara 443011, Russia.
authors.forename: Arina A
authors.initials: AA
authors.lastname: Pankova
authors.forename: Vladislav A
authors.initials: VA
authors.lastname: Blatov
authors.forename: Gregory D
authors.initials: GD
authors.lastname: Ilyushin
authors.forename: Davide M
authors.initials: DM
authors.lastname: Proserpio